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Resistin-like beta

Probable hormone.

AlphaFold DB , UniProt , Accession Q99P86, Species MOUSE (Mus musculus, Mouse), Gene Retnlb, Length 105 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.8Low75.4Confident222 Ų222121.7 Ų121.7100%1.09463%0.626SS**  099.60-68.2155.978.100105.6P3M1-P3 WeakPolarHBondContact O-CD 2.93Å
2K64.7Low76Confident161 Ų161119.8 Ų119.870%0.762%0.623SS**  7915.492.2-71.2179.7178.1174.40118.2
3P71.3Confident76.3Confident91 Ų91116.6 Ų116.659%0.59162%0.617SS**Hα-helixtrans-76.8-35.3175.531.5-36.3000112.6M1 L5 C6 F7M1-P3 WeakPolarHBondContact O-CD 2.93Å; P3-L5 PolarHBondContact O-N 3.05Å; P3-C6 PolarHBondContact O-N 3.32Å; P3-F7 PolarHBondContact O-N 3.46Å
4T73.9Confident76.5Confident107 Ų107114.1 Ų114.166%0.65660%0.604SS**Hα-helixtrans-65.6-38.3-177.714.20000112.7F7 L8T4-F7 PolarHBondContact O-N 3.49Å; T4-L8 PolarHBondContact O-N 3.11Å; T4-L8 VanDerWaalsContact O-N 3.11Å
5L77.9Confident76.3Confident99 Ų99116.4 Ų116.452%0.51861%0.607SS.*Hα-helixtrans-65.6-44.7175-90.7147.2000111.8P3 F7 L8 F9P3-L5 PolarHBondContact O-N 3.05Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.32Å; L5-L8 PolarHBondContact O-N 3.01Å; L5-F9 HydrophobicContact CD2-CE2 4.26Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.44Å
6C80.2Confident75.7Confident79 Ų79114.8 Ų114.853%0.53461%0.606SS.*Hα-helixtrans-61.6-41.2176.3-84.50000112.3P3 L8 F9 I10P3-C6 PolarHBondContact O-N 3.32Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.48Å; C6-F9 PolarHBondContact O-N 3.29Å; C6-I10 WeakPolarHBondContact O-CG1 3.33Å; C6-I10 PolarHBondContact O-N 2.97Å
7F79.9Confident75.2Confident142 Ų142116.2 Ų116.262%0.62361%0.613SS**Hα-helixtrans-63.2-41.8178.1-125.2-84.6000112P3 T4 L5 I10 L11P3-F7 PolarHBondContact O-N 3.46Å; T4-F7 PolarHBondContact O-N 3.49Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.32Å; F7-I10 PolarHBondContact O-N 2.97Å; F7-L11 HydrophobicContact CD1-CD1 4.38Å; F7-L11 WeakPolarHBondContact O-CG 3.21Å; F7-L11 PolarHBondContact O-N 3.36Å
8L82.5Confident74.7Confident107 Ų107117.2 Ų117.256%0.5662%0.617SS**Hα-helixtrans-61.3-44.1173.8-90.4155000112.2T4 L5 C6 I10 L11 V12T4-L8 PolarHBondContact O-N 3.11Å; T4-L8 VanDerWaalsContact O-N 3.11Å; L5-L8 PolarHBondContact O-N 3.01Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.48Å; L8-I10 PolarHBondContact O-N 2.9Å; L8-L11 PolarHBondContact O-N 2.96Å; L8-V12 WeakPolarHBondContact O-CB 3.22Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 3.1Å
9F81.7Confident73.9Confident139 Ų139115 Ų11561%0.6161%0.609SS**Hα-helixtrans-61.6-43.7175.9-86.7-71.5000112.1L5 C6 L11 V12 S13L5-F9 HydrophobicContact CD2-CE2 4.26Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.44Å; C6-F9 PolarHBondContact O-N 3.29Å; F9-L11 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 2.91Å; F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.5Å; F9-S13 PolarHBondContact O-OG 3.35Å; F9-S13 VanDerWaalsContact O-OG 3.1Å
10I83Confident73.2Confident92 Ų92114.1 Ų114.147%0.47261%0.609SS.*Hα-helixtrans-61.9-45.4177.1-68.1166.8000110.6C6 F7 L8 V12 S13 L14C6-I10 WeakPolarHBondContact O-CG1 3.33Å; C6-I10 PolarHBondContact O-N 2.97Å; F7-I10 PolarHBondContact O-N 2.97Å; L8-I10 PolarHBondContact O-N 2.9Å; I10-V12 PolarHBondContact O-N 3.31Å; I10-S13 PolarHBondContact O-N 3.47Å; I10-L14 HydrophobicContact CG2-CD1 3.6Å; I10-L14 HydrophobicContact CG2-CG 4.23Å; I10-L14 WeakPolarHBondContact O-CB 3.37Å; I10-L14 WeakPolarHBondContact O-CG 3.42Å; I10-L14 PolarHBondContact O-N 3.5Å
11L82.2Confident72.3Confident100 Ų100112.4 Ų112.452%0.52462%0.62SS.*Hα-helixtrans-62-43177.8-72.6170.2000112.1F7 L8 F9 L14 F15F7-L11 HydrophobicContact CD1-CD1 4.38Å; F7-L11 WeakPolarHBondContact O-CG 3.21Å; F7-L11 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 2.96Å; F9-L11 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.14Å; L11-F15 PolarHBondContact O-N 2.94Å
12V82.7Confident72.4Confident98 Ų98109 Ų10959%0.59461%0.606SS**Hα-helixtrans-65.3-40177.3170.20000111.4L8 F9 I10 F15 P16L8-V12 WeakPolarHBondContact O-CB 3.22Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 3.1Å; F9-V12 PolarHBondContact O-N 2.91Å; I10-V12 PolarHBondContact O-N 3.31Å; V12-F15 PolarHBondContact O-N 3.25Å; V12-P16 WeakPolarHBondContact O-CD 3.45Å
13S79.5Confident71.8Confident79 Ų79105.1 Ų105.155%0.55260%0.604SS**Hα-helixtrans-71.1-29.9176.7-63.80000113.5F9 I10 P16F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.5Å; F9-S13 PolarHBondContact O-OG 3.35Å; F9-S13 VanDerWaalsContact O-OG 3.1Å; I10-S13 PolarHBondContact O-N 3.47Å; S13-P16 WeakPolarHBondContact O-CD 3.25Å; S13-P16 WeakPolarHBondContact O-CG 3.49Å
14L79.8Confident70.7Confident81 Ų81109 Ų10942%0.42461%0.614SS.*Hα-helixtrans-82-22.6176-69.6172.8000112.9I10 L11 L17 I18I10-L14 HydrophobicContact CG2-CD1 3.6Å; I10-L14 HydrophobicContact CG2-CG 4.23Å; I10-L14 WeakPolarHBondContact O-CB 3.37Å; I10-L14 WeakPolarHBondContact O-CG 3.42Å; I10-L14 PolarHBondContact O-N 3.5Å; L11-L14 PolarHBondContact O-N 3.14Å; L14-L17 HydrophobicContact CD2-CD1 4.07Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 3Å; L14-I18 PolarHBondContact O-N 3.37Å
15F72.9Confident69.8Low149 Ų149109.2 Ų109.265%0.65462%0.619SS**Hα-helixtrans-54.2-47.3178.6-148.3-99.7000113.5L11 V12 L17 I18 V19L11-F15 PolarHBondContact O-N 2.94Å; V12-F15 PolarHBondContact O-N 3.25Å; F15-L17 PolarHBondContact O-N 3.23Å; F15-I18 PolarHBondContact O-N 3.2Å; F15-I18 VanDerWaalsContact O-N 3.14Å; F15-V19 PolarHBondContact O-N 3.49Å
16P67.8Low69.7Low90 Ų90106 Ų10658%0.58461%0.605SS**Hα-helixtrans-66.9-16.9176.121.8-29.9000114.5V12 S13V12-P16 WeakPolarHBondContact O-CD 3.45Å; S13-P16 WeakPolarHBondContact O-CD 3.25Å; S13-P16 WeakPolarHBondContact O-CG 3.49Å
17L66.9Low69.9Low140 Ų140110.2 Ų110.273%0.73361%0.614SS**Hα-helixtrans-82-22.2173.8-81.8146.1000113L14 F15L14-L17 HydrophobicContact CD2-CD1 4.07Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 3Å; F15-L17 PolarHBondContact O-N 3.23Å
18I65.2Low70.3Confident134 Ų134110.2 Ų110.269%0.68762%0.616SS**Hα-helixtrans-90.8-21.4177.9-57.7166.5000110.8L14 F15 P20L14-I18 PolarHBondContact O-N 3.37Å; F15-I18 PolarHBondContact O-N 3.2Å; F15-I18 VanDerWaalsContact O-N 3.14Å; I18-P20 VanDerWaalsContact O-CD 3.25Å; I18-P20 WeakPolarHBondContact O-CD 3.11Å
19V60.3Low70.5Confident75 Ų75107.3 Ų107.346%0.45561%0.605SS.*SBendtrans-67.2114.9168.5179.80000107.4F15 G21F15-V19 PolarHBondContact O-N 3.49Å; V19-G21 PolarHBondContact O-N 2.73Å
20P59Low70.9Confident96 Ų96104.7 Ų104.762%0.62360%0.597SS**  trans-59.5116.7173-111.9000106.7I18 N22 A23I18-P20 VanDerWaalsContact O-CD 3.25Å; I18-P20 WeakPolarHBondContact O-CD 3.11Å; P20-N22 PolarHBondContact O-N 2.97Å; P20-A23 PolarHBondContact O-N 3.22Å
21G54.6Low71.4Confident80 Ų80103 Ų10383%0.82559%0.59SS**THydrogen-bonded Turntrans-62.418.8179.300000115.3V19V19-G21 PolarHBondContact O-N 2.73Å
22N54.2Low72Confident149 Ų149102.3 Ų102.380%0.79759%0.587SS**THydrogen-bonded Turntrans-12720.5178.2-76.9-6.5000112.8P20 Q24P20-N22 PolarHBondContact O-N 2.97Å; N22-Q24 PolarHBondContact O-N 2.87Å
23A52Low72.5Confident80 Ų80102.6 Ų102.666%0.66158%0.582SS**  trans-78.88.9170.800000114P20 C25P20-A23 PolarHBondContact O-N 3.22Å; A23-C25 PolarHBondContact O-N 2.92Å
24Q49.1Very low73.2Confident173 Ų173106 Ų10681%0.80858%0.583SS**  trans-71.572.4148-85.3178.8-28.600108.2N22 S26N22-Q24 PolarHBondContact O-N 2.87Å; Q24-S26 PolarHBondContact O-N 3.33Å
25C55.5Low74Confident112 Ų112106.2 Ų106.276%0.75758%0.583SS**  -61.981.3127.4-74.10000104.2A23 S29A23-C25 PolarHBondContact O-N 2.92Å; C25-S29 VanDerWaalsContact C-OG 3.27Å; C25-S29 WeakPolarHBondContact CA-OG 3.38Å
26S74.2Confident75.2Confident32 Ų32106.1 Ų106.122%0.22458%0.583CS.*  trans-56.2145.5-179.562.50000106.7Q24 E28 S29 L30Q24-S26 PolarHBondContact O-N 3.33Å; S26-E28 PolarHBondContact O-N 2.95Å; S26-S29 PolarHBondContact N-OG 3.45Å; S26-S29 VanDerWaalsContact N-OG 3.14Å; S26-S29 WeakPolarHBondContact O-CA 3.34Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 2.89Å; S26-S29 PolarHBondContact O-OG 3.39Å; S26-S29 PolarHBondContact OG-N 2.96Å; S26-L30 PolarHBondContact O-N 3.28Å
27F84Confident76.5Confident167 Ų167104.5 Ų104.573%0.73257%0.567SS**Hα-helixtrans-48.2-33.8172.2176.1-99.7000111.2L30 V31F27-L30 WeakPolarHBondContact O-CB 3.38Å; F27-L30 PolarHBondContact O-N 3.33Å; F27-V31 HydrophobicContact CD1-CG2 4.15Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CZ-CG2 4Å; F27-V31 VanDerWaalsContact O-CG2 3.32Å; F27-V31 WeakPolarHBondContact O-CG2 3.47Å; F27-V31 PolarHBondContact O-N 2.67Å
28E89Confident77.9Confident141 Ų141100.8 Ų100.866%0.65956%0.557SS**Hα-helixtrans-59.4-48.1171.1-57.7-179.8159.700113.3S26 L30 V31 D32S26-E28 PolarHBondContact O-N 2.95Å; E28-L30 PolarHBondContact O-N 3.21Å; E28-V31 PolarHBondContact O-N 2.8Å; E28-V31 VanDerWaalsContact O-N 3.11Å; E28-D32 WeakPolarHBondContact O-CB 3.48Å; E28-D32 PolarHBondContact O-N 3.32Å
29S88Confident79.4Confident46 Ų4699.4 Ų99.432%0.32255%0.551SS.*Hα-helixtrans-59.9-35.317770.40000112.9C25 S26 Q33C25-S29 VanDerWaalsContact C-OG 3.27Å; C25-S29 WeakPolarHBondContact CA-OG 3.38Å; S26-S29 PolarHBondContact N-OG 3.45Å; S26-S29 VanDerWaalsContact N-OG 3.14Å; S26-S29 WeakPolarHBondContact O-CA 3.34Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 2.89Å; S26-S29 PolarHBondContact O-OG 3.39Å; S26-S29 PolarHBondContact OG-N 2.96Å; S29-Q33 WeakPolarHBondContact O-CB 3.33Å; S29-Q33 PolarHBondContact O-N 3.07Å
30L89.5Confident81Confident85 Ų85100.5 Ų100.545%0.44556%0.561SS.*Hα-helixtrans-68.5-44.7174.4178.666.3000111.1S26 F27 E28 Q33 R34S26-L30 PolarHBondContact O-N 3.28Å; F27-L30 WeakPolarHBondContact O-CB 3.38Å; F27-L30 PolarHBondContact O-N 3.33Å; E28-L30 PolarHBondContact O-N 3.21Å; L30-Q33 PolarHBondContact O-N 2.83Å; L30-R34 WeakPolarHBondContact O-CG 3.35Å; L30-R34 PolarHBondContact O-N 3.43Å
31V93.7Very high82.7Confident55 Ų55105.4 Ų105.433%0.33357%0.567SS.*Hα-helixtrans-60.6-46.5175.7170.10000110.5F27 E28 Q33 R34 I35F27-V31 HydrophobicContact CD1-CG2 4.15Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CZ-CG2 4Å; F27-V31 VanDerWaalsContact O-CG2 3.32Å; F27-V31 WeakPolarHBondContact O-CG2 3.47Å; F27-V31 PolarHBondContact O-N 2.67Å; E28-V31 PolarHBondContact O-N 2.8Å; E28-V31 VanDerWaalsContact O-N 3.11Å; V31-Q33 PolarHBondContact O-N 3.02Å; V31-R34 PolarHBondContact O-N 3.32Å; V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 WeakPolarHBondContact O-CG1 3.49Å; V31-I35 PolarHBondContact O-N 3.1Å
32D94.3Very high84.6Confident86 Ų86107.8 Ų107.846%0.4656%0.557SS.*Hα-helixtrans-61.5-42.2177.7-77.3-10.2000112.2E28 R34 I35 K36E28-D32 WeakPolarHBondContact O-CB 3.48Å; E28-D32 PolarHBondContact O-N 3.32Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-I35 PolarHBondContact O-N 3.14Å; D32-K36 WeakPolarHBondContact O-CB 3.34Å; D32-K36 WeakPolarHBondContact O-CG 3.35Å; D32-K36 PolarHBondContact O-N 2.94Å
33Q93.5Very high86.5Confident104 Ų104108.4 Ų108.449%0.48656%0.555SS.*Hα-helixtrans-61.2-44.5175.3-178.1179.1-16.900110.9S29 L30 V31 K36 E37S29-Q33 WeakPolarHBondContact O-CB 3.33Å; S29-Q33 PolarHBondContact O-N 3.07Å; L30-Q33 PolarHBondContact O-N 2.83Å; V31-Q33 PolarHBondContact O-N 3.02Å; Q33-K36 PolarHBondContact O-N 3.18Å; Q33-E37 HydrophobicContact CG-CG 4.48Å; Q33-E37 PolarHBondContact NE2-OE1 2.98Å; Q33-E37 WeakPolarHBondContact O-CB 3.44Å; Q33-E37 WeakPolarHBondContact O-CG 3.45Å; Q33-E37 PolarHBondContact O-N 3.02Å
34R94.7Very high88.4Confident151 Ų151109.2 Ų109.257%0.5755%0.554SS**Hα-helixtrans-65.4-38.8177.8-68.8-57.1-171.5-1712.7112.7L30 V31 D32 E37 A38L30-R34 WeakPolarHBondContact O-CG 3.35Å; L30-R34 PolarHBondContact O-N 3.43Å; V31-R34 PolarHBondContact O-N 3.32Å; D32-R34 VanDerWaalsContact C-N 3.34Å; R34-E37 IonicContact CZ-OE2 3.8Å; R34-E37 IonicContact NH1-OE2 2.8Å; R34-E37 PolarHBondContact NH1-OE2 3.21Å; R34-E37 PolarHBondContact O-N 3.48Å; R34-A38 WeakPolarHBondContact O-CB 3.45Å; R34-A38 PolarHBondContact O-N 3.48Å
35I96.5Very high90.6Very high85 Ų85108 Ų10844%0.43655%0.546SS..Hα-helixtrans-63-46.3174-68.7167.6000110.3V31 D32 E37 A38 L39V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 WeakPolarHBondContact O-CG1 3.49Å; V31-I35 PolarHBondContact O-N 3.1Å; D32-I35 PolarHBondContact O-N 3.14Å; I35-E37 PolarHBondContact O-N 3.46Å; I35-A38 PolarHBondContact O-N 2.91Å; I35-L39 HydrophobicContact CG2-CD1 3.69Å; I35-L39 HydrophobicContact CG2-CG 4.3Å; I35-L39 WeakPolarHBondContact O-CB 3.33Å; I35-L39 WeakPolarHBondContact O-CG 3.32Å; I35-L39 PolarHBondContact O-N 3.38Å
36K96.5Very high92.6Very high147 Ų147106.9 Ų106.964%0.63954%0.535SS*.Hα-helixtrans-62.4-41.6177.4-75.4173.9-178.4171.80112.5D32 Q33 A38 L39 S40D32-K36 WeakPolarHBondContact O-CB 3.34Å; D32-K36 WeakPolarHBondContact O-CG 3.35Å; D32-K36 PolarHBondContact O-N 2.94Å; Q33-K36 PolarHBondContact O-N 3.18Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-L39 PolarHBondContact O-N 3.46Å; K36-S40 WeakPolarHBondContact O-CB 3.46Å; K36-S40 PolarHBondContact O-N 3.11Å; K36-S40 PolarHBondContact O-OG 3.33Å
37E96.1Very high93.7Very high56 Ų56111.3 Ų111.326%0.26256%0.555SS.*Hα-helixtrans-63.9-36.5175.5-76.9173.3-171.700112.4Q33 R34 I35 S40 R41Q33-E37 HydrophobicContact CG-CG 4.48Å; Q33-E37 PolarHBondContact NE2-OE1 2.98Å; Q33-E37 WeakPolarHBondContact O-CB 3.44Å; Q33-E37 WeakPolarHBondContact O-CG 3.45Å; Q33-E37 PolarHBondContact O-N 3.02Å; R34-E37 IonicContact CZ-OE2 3.8Å; R34-E37 IonicContact NH1-OE2 2.8Å; R34-E37 PolarHBondContact NH1-OE2 3.21Å; R34-E37 PolarHBondContact O-N 3.48Å; I35-E37 PolarHBondContact O-N 3.46Å; E37-S40 PolarHBondContact O-OG 2.91Å; E37-S40 VanDerWaalsContact O-OG 3.1Å; E37-R41 WeakPolarHBondContact O-CG 3.46Å
38A95.8Very high94.4Very high63 Ų63105.8 Ų105.852%0.52154%0.538SS..Hα-helixtrans-71.5-45.5176.200000111.7R34 I35 K36 S40 R41 Q42R34-A38 WeakPolarHBondContact O-CB 3.45Å; R34-A38 PolarHBondContact O-N 3.48Å; I35-A38 PolarHBondContact O-N 2.91Å; K36-A38 VanDerWaalsContact C-N 3.33Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.3Å; A38-R41 PolarHBondContact O-N 3.25Å; A38-Q42 PolarHBondContact O-N 3.26Å
39L96.4Very high94.9Very high105 Ų105101.3 Ų101.355%0.5552%0.522SS..Hα-helixtrans-65.1-35.2178.6-71.5169.8000112.4I35 K36 R41 Q42I35-L39 HydrophobicContact CG2-CD1 3.69Å; I35-L39 HydrophobicContact CG2-CG 4.3Å; I35-L39 WeakPolarHBondContact O-CB 3.33Å; I35-L39 WeakPolarHBondContact O-CG 3.32Å; I35-L39 PolarHBondContact O-N 3.38Å; K36-L39 PolarHBondContact O-N 3.46Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3Å; L39-Q42 WeakPolarHBondContact O-CB 3.33Å; L39-Q42 PolarHBondContact O-N 2.8Å
40S95.4Very high95.4Very high97 Ų97102.3 Ų102.368%0.67853%0.526SS*.Hα-helixtrans-71.8-21.8179.167.60000113.8K36 E37 A38K36-S40 WeakPolarHBondContact O-CB 3.46Å; K36-S40 PolarHBondContact O-N 3.11Å; K36-S40 PolarHBondContact O-OG 3.33Å; E37-S40 PolarHBondContact O-OG 2.91Å; E37-S40 VanDerWaalsContact O-OG 3.1Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.3Å
41R94.9Very high95.8Very high199 Ų199101 Ų10175%0.75152%0.524SS*.THydrogen-bonded Turntrans-89.8-10.3173.8-66176.3-171.3-155.72.5113E37 A38 L39 E43E37-R41 WeakPolarHBondContact O-CG 3.46Å; A38-R41 PolarHBondContact O-N 3.25Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3Å; R41-E43 PolarHBondContact O-N 2.89Å
42Q93.7Very high96Very high130 Ų130100.5 Ų100.561%0.60752%0.521SS*.SBendtrans-75.2116177.9-175.7176.6-7.200108.9A38 L39A38-Q42 PolarHBondContact O-N 3.26Å; L39-Q42 WeakPolarHBondContact O-CB 3.33Å; L39-Q42 PolarHBondContact O-N 2.8Å
43E93Very high96.2Very high163 Ų163100.6 Ų100.676%0.76252%0.524SS*.PPolyproline II helixtrans-59.6131.7172.9-69.6-61.6146.400110R41R41-E43 PolarHBondContact O-N 2.89Å
44P93.4Very high96.5Very high97 Ų9798.3 Ų98.363%0.6352%0.52SS*.PPolyproline II helixtrans-66.1145.2178.128.4-33.9000110
45K94.9Very high96.7Very high147 Ų14796 Ų9664%0.63953%0.527SS*.PPolyproline II helixtrans-61.8140.9171.6-68.3-171.3178.2-175.70110.1M104 A105K45-M104 HydrophobicContact CB-CE 3.8Å; K45-M104 HydrophobicContact CD-CB 4.42Å; K45-A105 CarbonylContact C-O 3.56Å; K45-A105 WeakPolarHBondContact CA-O 3.12Å
46T97.3Very high96.7Very high88 Ų8893.3 Ų93.354%0.5452%0.52SS..  trans-110.6163.1-179.765.10000110.6M104 A105T46-M104 CarbonylContact O-C 3.54Å; T46-M104 WeakPolarHBondContact O-CA 3.32Å; T46-A105 PolarHBondContact N-O 3.31Å; T46-A105 PolarHBondContact O-N 2.85Å; T46-A105 PolarHBondContact OG1-O 3.48Å
47I98Very high96.8Very high125 Ų12590.7 Ų90.764%0.64151%0.506SS*.EExtended strand (participates in β ladder)trans-86.2123.6171.9-61.3172000108.1C102 M104I47-C102 HydrophobicContact CG2-CB 4.25Å; I47-M104 HydrophobicContact CG1-SD 3.74Å
48S98.1Very high96.9Very high52 Ų5292 Ų9236%0.36451%0.514SS..EExtended strand (participates in β ladder)trans-110.7126.9171.9-176.80000109.6C102 R103S48-C102 CarbonylContact O-C 3.54Å; S48-C102 VanDerWaalsContact O-CA 3.29Å; S48-C102 WeakPolarHBondContact O-CA 3Å; S48-R103 PolarHBondContact N-O 2.79Å; S48-R103 PolarHBondContact O-N 2.84Å
49C98.5Very high97.1Very high47 Ų4789 Ų8932%0.31849%0.49SS..EExtended strand (participates in β ladder)trans-127.5135.6-178-63.30000111.8R100 C101 C102C49-R100 PolarHBondContact O-NH2 3.1Å; C49-C101 CarbonylContact C-O 3.56Å; C49-C101 VanDerWaalsContact CA-O 3.23Å; C49-C101 WeakPolarHBondContact CA-O 3.48Å; C49-C102 HydrophobicContact CB-CB 4.14Å; C49-C102 WeakPolarHBondContact CB-SG 3.26Å; C49-C102 WeakPolarHBondContact SG-CB 3.4Å; C49-C102 CovalentContact SG-SG 2.04Å; C49-C102 PolarHBondContact SG-SG 2.87Å
50T98.5Very high97.2Very high66 Ų6686.8 Ų86.841%0.40548%0.483SS..EExtended strand (participates in β ladder)trans-129.5164.6172.9-169.90000110.1M65 C101T50-M65 HydrophobicContact CG2-CE 4.27Å; T50-M65 HydrophobicContact CG2-SD 3.99Å; T50-C101 HydrophobicContact CG2-CB 4.2Å; T50-C101 PolarHBondContact N-O 3.18Å; T50-C101 PolarHBondContact O-N 2.75Å; T50-C101 VanDerWaalsContact O-O 3.14Å
51S98.7Very high97.4Very high58 Ų5882.5 Ų82.541%0.40645%0.453SS..EExtended strand (participates in β ladder)trans-110.8136.3173.5-62.20000109.6A99 R100S51-A99 CarbonylContact C-O 3.58Å; S51-A99 VanDerWaalsContact CA-O 3.31Å; S51-A99 WeakPolarHBondContact CA-O 3.37Å; S51-R100 VanDerWaalsContact OG-CD 3.31Å; S51-R100 WeakPolarHBondContact OG-CD 3.07Å; S51-R100 PolarHBondContact OG-NH1 2.85Å
52V98.7Very high97.5Very high45 Ų4576.2 Ų76.227%0.27344%0.438SS..EExtended strand (participates in β ladder)trans-111.8116.7171.8179.20000108.1S60 S98 A99V52-S60 WeakPolarHBondContact CG1-O 3.06Å; V52-S98 CarbonylContact O-C 3.53Å; V52-S98 VanDerWaalsContact O-CA 3.29Å; V52-S98 WeakPolarHBondContact O-CA 2.98Å; V52-S98 PolarHBondContact O-OG 2.02Å; V52-A99 PolarHBondContact N-O 2.73Å; V52-A99 PolarHBondContact O-N 2.87Å
53T98.7Very high97.7Very high87 Ų8775.2 Ų75.253%0.53445%0.452SS..EExtended strand (participates in β ladder)trans-109138.2178.7-51.50000109.6W96 A97 S98T53-W96 HydrophobicContact CG2-CB 4.33Å; T53-W96 HydrophobicContact CG2-CD2 4.35Å; T53-W96 HydrophobicContact CG2-CE3 3.91Å; T53-A97 WeakPolarHBondContact CA-O 3.48Å; T53-A97 WeakPolarHBondContact CG2-O 3.23Å; T53-S98 PolarHBondContact OG1-OG 3.42Å; T53-S98 VanDerWaalsContact OG1-OG 3.04Å
54S98.7Very high97.9Very high56 Ų5670.9 Ų70.939%0.39245%0.451SS..EExtended strand (participates in β ladder)trans-140.4150.7177.9176.10000110.1L58 W96 A97S54-L58 VanDerWaalsContact CB-O 3.32Å; S54-L58 WeakPolarHBondContact CB-O 3.49Å; S54-L58 PolarHBondContact OG-O 2.79Å; S54-W96 WeakPolarHBondContact O-CA 3.11Å; S54-A97 PolarHBondContact N-O 3.49Å; S54-A97 PolarHBondContact O-N 2.73Å
55S98.4Very high98.1Very high104 Ų10467.9 Ų67.973%0.72743%0.429SS*.EExtended strand (participates in β ladder)trans-64.5148.1172.6-53.50000111
56G97.8Very high98.2Very high27 Ų2765.2 Ų65.228%0.27842%0.424SS..SBendtrans82.6-150.1-179.300000113.2M94 D95 W96 A97G56-M94 VanDerWaalsContact O-CG 3.26Å; G56-M94 WeakPolarHBondContact O-CG 3.44Å; G56-D95 PolarHBondContact N-O 3.07Å; G56-W96 CarbonylContact O-C 3.15Å; G56-W96 WeakPolarHBondContact O-CA 2.99Å; G56-A97 PolarHBondContact O-N 3Å; G56-A97 VanDerWaalsContact O-N 3.13Å
57R98.4Very high98.3Very high93 Ų9361.8 Ų61.835%0.35140%0.403SS..SBendtrans-93.9-10.5-168.4-66.5170175.1-101.1-0.7114.6H88 C89 Q90 C91 S92 M94R57-H88 CarbonylContact O-C 3.56Å; R57-H88 WeakPolarHBondContact O-CA 3.48Å; R57-C89 PolarHBondContact NH1-O 3.31Å; R57-C89 PolarHBondContact O-N 3.05Å; R57-Q90 PolarHBondContact NH1-O 2.02Å; R57-C91 PolarHBondContact NH1-O 2.78Å; R57-C91 PolarHBondContact NH2-O 2.75Å; R57-S92 PolarHBondContact NH2-O 2.93Å; R57-M94 HydrophobicContact CG-CB 3.7Å; R57-M94 HydrophobicContact CG-CG 4.15Å
58L98.7Very high98.3Very high82 Ų8259.7 Ų59.743%0.42940%0.397SS..EExtended strand (participates in β ladder)trans-120.2135.2-168.8-61.5178.1000110.8S54 T86 C87 H88S54-L58 VanDerWaalsContact CB-O 3.32Å; S54-L58 WeakPolarHBondContact CB-O 3.49Å; S54-L58 PolarHBondContact OG-O 2.79Å; L58-T86 HydrophobicContact CB-CG2 4.26Å; L58-T86 HydrophobicContact CD2-CG2 4.03Å; L58-C87 VanDerWaalsContact CA-O 3.3Å; L58-C87 WeakPolarHBondContact CA-O 3.33Å; L58-H88 HydrophobicContact CD2-CB 3.74Å
59A98.8Very high98.3Very high2 Ų258 Ų582%0.01739%0.387CS..EExtended strand (participates in β ladder)trans-140124.5168.600000109.6T86 C87 A97 A99A59-T86 CarbonylContact O-C 3.55Å; A59-T86 WeakPolarHBondContact O-CA 3.29Å; A59-C87 PolarHBondContact N-O 3.33Å; A59-C87 PolarHBondContact O-N 2.02Å; A59-A97 HydrophobicContact CB-CB 4.05Å; A59-A97 WeakPolarHBondContact CB-O 2.99Å; A59-A99 HydrophobicContact CB-CB 4.1Å; A59-A99 WeakPolarHBondContact O-CB 3.38Å
60S98.8Very high98.3Very high57 Ų5756.6 Ų56.640%0.39938%0.378SS..EExtended strand (participates in β ladder)trans-111.7136.4-173.9-56.30000111.4V52 N85 T86V52-S60 WeakPolarHBondContact CG1-O 3.06Å; S60-N85 WeakPolarHBondContact CA-O 3.48Å; S60-T86 WeakPolarHBondContact CB-OG1 2.99Å; S60-T86 WeakPolarHBondContact OG-CB 3.28Å; S60-T86 VanDerWaalsContact OG-CG2 3.28Å; S60-T86 WeakPolarHBondContact OG-CG2 3.48Å; S60-T86 PolarHBondContact OG-OG1 2.76Å
61C98.7Very high98.3Very high7 Ų755.6 Ų55.65%0.04738%0.376CS..PPolyproline II helixtrans-74147.9170.1-690000111.2M65 V67 N85 C101C61-M65 HydrophobicContact CB-CB 4.29Å; C61-V67 HydrophobicContact CB-CG2 4.16Å; C61-V67 WeakPolarHBondContact SG-CG2 3.36Å; C61-N85 PolarHBondContact N-O 2.04Å; C61-C101 WeakPolarHBondContact CA-SG 3.5Å; C61-C101 HydrophobicContact CB-CB 3.72Å; C61-C101 WeakPolarHBondContact CB-SG 3Å; C61-C101 WeakPolarHBondContact SG-CA 3.32Å; C61-C101 WeakPolarHBondContact SG-CB 3.28Å; C61-C101 CovalentContact SG-SG 2.02Å; C61-C101 PolarHBondContact SG-SG 3.47Å
62P98.2Very high98.3Very high68 Ų6853.3 Ų53.344%0.44236%0.36SS..PPolyproline II helixtrans-60.7154.1171.9-20.233.1000111.4G64 M65P62-G64 PolarHBondContact O-N 3.44Å; P62-M65 HydrophobicContact CG-SD 4.38Å; P62-M65 PolarHBondContact O-N 2.98Å; P62-M65 VanDerWaalsContact O-N 3.13Å
63A97.2Very high98.3Very high109 Ų10951.3 Ų51.390%0.90135%0.349SS*.THydrogen-bonded Turntrans-56.1137.8173.600000111
64G97.1Very high98.3Very high71 Ų7155 Ų5573%0.73235%0.354SS*.THydrogen-bonded Turntrans85.13.2-175.100000114.9P62 R103P62-G64 PolarHBondContact O-N 3.44Å; G64-R103 WeakPolarHBondContact O-CB 3.43Å
65M98.1Very high98.2Very high34 Ų3456 Ų5617%0.16737%0.373CS..  trans-117149.5167.3-65.3-175170.400110.6T50 C61 P62 C101 C102 R103T50-M65 HydrophobicContact CG2-CE 4.27Å; T50-M65 HydrophobicContact CG2-SD 3.99Å; C61-M65 HydrophobicContact CB-CB 4.29Å; P62-M65 HydrophobicContact CG-SD 4.38Å; P62-M65 PolarHBondContact O-N 2.98Å; P62-M65 VanDerWaalsContact O-N 3.13Å; M65-C101 HydrophobicContact CB-CB 4.04Å; M65-C101 HydrophobicContact SD-CB 3.77Å; M65-C102 CarbonylContact C-O 3.54Å; M65-C102 WeakPolarHBondContact CA-O 3.44Å; M65-R103 HydrophobicContact CE-CG 4.06Å; M65-R103 HydrophobicContact CG-CB 4.09Å; M65-R103 HydrophobicContact CG-CG 4.21Å
66V97.8Very high98.1Very high91 Ų9151.6 Ų51.655%0.55234%0.342SS*.EExtended strand (participates in β ladder)trans-103.5143.4175.4-61.10000110.2T68 C101 C102V66-T68 HydrophobicContact CG2-CG2 4.15Å; V66-T68 PolarHBondContact O-N 2.83Å; V66-C101 WeakPolarHBondContact O-CA 3.3Å; V66-C102 WeakPolarHBondContact CG2-O 3.17Å; V66-C102 PolarHBondContact N-O 3.34Å; V66-C102 PolarHBondContact O-N 3.2Å
67V98.7Very high98.2Very high16 Ų1653.3 Ų53.310%0.09736%0.361CS..EExtended strand (participates in β ladder)trans-74.3119.6170.4178.60000108.4C61 I81 N85 C87 A99 R100C61-V67 HydrophobicContact CB-CG2 4.16Å; C61-V67 WeakPolarHBondContact SG-CG2 3.36Å; V67-I81 HydrophobicContact CB-CD1 4.02Å; V67-I81 HydrophobicContact CB-CG1 4.45Å; V67-I81 HydrophobicContact CB-CG2 4.24Å; V67-I81 HydrophobicContact CG1-CD1 3.59Å; V67-I81 HydrophobicContact CG1-CG1 3.87Å; V67-I81 HydrophobicContact CG1-CG2 4.49Å; V67-I81 HydrophobicContact CG2-CG2 4.43Å; V67-N85 VanDerWaalsContact CG2-O 3.28Å; V67-N85 WeakPolarHBondContact CG2-O 3.31Å; V67-C87 WeakPolarHBondContact CG1-SG 3.28Å; V67-A99 HydrophobicContact CG2-CB 4.46Å; V67-R100 CarbonylContact C-O 3.5Å; V67-R100 WeakPolarHBondContact CA-O 3.4Å
68T98.1Very high98.2Very high82 Ų8252 Ų5250%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-101-14.5176.156.80000113.2V66 R100 C102V66-T68 HydrophobicContact CG2-CG2 4.15Å; V66-T68 PolarHBondContact O-N 2.83Å; T68-R100 PolarHBondContact N-O 3.4Å; T68-R100 WeakPolarHBondContact OG1-CG 3.38Å; T68-R100 PolarHBondContact OG1-O 2.92Å; T68-C102 HydrophobicContact CG2-CB 3.74Å; T68-C102 VanDerWaalsContact CG2-SG 3.57Å; T68-C102 PolarHBondContact OG1-SG 2.8Å
69G98.4Very high98.2Very high16 Ų1653.1 Ų53.117%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-179.4165.7175.800000111.6R100G69-R100 PolarHBondContact O-N 2.95Å
70C98.7Very high98.2Very high17 Ų1755.2 Ų55.212%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-124151178.2-50.20000110.5W79 C87 S98C70-W79 HydrophobicContact CB-CB 4.05Å; C70-W79 HydrophobicContact CB-CD2 3.51Å; C70-W79 HydrophobicContact CB-CE3 3.73Å; C70-W79 HydrophobicContact CB-CG 3.64Å; C70-W79 HydrophobicContact CB-CZ3 4.37Å; C70-W79 PolarHBondContact O-NE1 2.88Å; C70-W79 VanDerWaalsContact SG-CE3 3.56Å; C70-C87 VanDerWaalsContact CA-SG 3.51Å; C70-C87 HydrophobicContact CB-CB 3.67Å; C70-C87 WeakPolarHBondContact CB-SG 3.45Å; C70-C87 VanDerWaalsContact SG-CA 3.56Å; C70-C87 WeakPolarHBondContact SG-CB 3.49Å; C70-C87 CovalentContact SG-SG 2.02Å; C70-C87 PolarHBondContact SG-SG 2.9Å; C70-S98 CarbonylContact C-O 3.56Å; C70-S98 VanDerWaalsContact CA-O 3.28Å; C70-S98 WeakPolarHBondContact CA-O 3.31Å
71A98.7Very high98.1Very high45 Ų4555.9 Ų55.937%0.37237%0.374SS..EExtended strand (participates in β ladder)trans-128.3147.9164.600000108.3W96 S98A71-W96 HydrophobicContact CB-CH2 4.24Å; A71-W96 HydrophobicContact CB-CZ3 4.1Å; A71-S98 PolarHBondContact N-O 3.31Å; A71-S98 PolarHBondContact O-N 2.96Å
72C98.7Very high98.1Very high11 Ų1161 Ų617%0.07439%0.392CS..EExtended strand (participates in β ladder)trans-131.2147.2-177.4-56.60000108.1C76 C89 M94C72-C76 HydrophobicContact CB-CB 3.73Å; C72-C76 VanDerWaalsContact CB-O 3.32Å; C72-C76 WeakPolarHBondContact CB-O 3.48Å; C72-C89 VanDerWaalsContact CA-SG 3.59Å; C72-C89 HydrophobicContact CB-CB 3.74Å; C72-C89 WeakPolarHBondContact CB-SG 3.36Å; C72-C89 WeakPolarHBondContact SG-CB 3.37Å; C72-C89 CovalentContact SG-SG 2.02Å; C72-C89 PolarHBondContact SG-SG 2.93Å; C72-M94 HydrophobicContact CB-CE 4.03Å; C72-M94 HydrophobicContact CB-SD 3.7Å
73G98.3Very high98Very high3 Ų365.2 Ų65.23%0.03141%0.411CS..G310 helixtrans-71.2-179.4172.900000112.7G75 C76 D95 W96G73-G75 PolarHBondContact O-N 2.77Å; G73-C76 WeakPolarHBondContact O-CB 3.35Å; G73-C76 PolarHBondContact O-N 2.82Å; G73-D95 WeakPolarHBondContact CA-OD1 3.43Å; G73-W96 VanDerWaalsContact CA-CE2 3.45Å; G73-W96 PolarHBondContact N-O 3.49Å
74Y97.4Very high97.9Very high163 Ų16362.8 Ų62.864%0.63940%0.396SS*.G310 helixtrans50.921.2-168.1-62.7-77.9000115.5C76 V93 D95Y74-C76 PolarHBondContact O-N 2.86Å; Y74-V93 HydrophobicContact CD2-CG1 4.33Å; Y74-V93 HydrophobicContact CE2-CG1 3.83Å; Y74-D95 HydrophobicContact CD2-CB 4.22Å; Y74-D95 VanDerWaalsContact CD2-OD1 3.29Å; Y74-D95 WeakPolarHBondContact CD2-OD1 3.48Å; Y74-D95 HydrophobicContact CE2-CB 3.51Å; Y74-D95 VanDerWaalsContact CE2-CG 3.4Å; Y74-D95 WeakPolarHBondContact CE2-OD1 3.29Å
75G96.7Very high97.9Very high78 Ų7862.3 Ų62.380%0.80438%0.377SS*.G310 helixtrans66.121.5-176.600000113.8G73 G77G73-G75 PolarHBondContact O-N 2.77Å; G75-G77 PolarHBondContact O-N 2.84Å; G75-G77 VanDerWaalsContact O-N 3.15Å
76C98.1Very high97.9Very high11 Ų1161.4 Ų61.47%0.07437%0.373CS..  trans-67.5112179.5178.30000111.3C72 G73 Y74 S78 C91 M94C72-C76 HydrophobicContact CB-CB 3.73Å; C72-C76 VanDerWaalsContact CB-O 3.32Å; C72-C76 WeakPolarHBondContact CB-O 3.48Å; G73-C76 WeakPolarHBondContact O-CB 3.35Å; G73-C76 PolarHBondContact O-N 2.82Å; Y74-C76 PolarHBondContact O-N 2.86Å; C76-S78 VanDerWaalsContact C-N 3.34Å; C76-S78 PolarHBondContact SG-O 2.94Å; C76-C91 HydrophobicContact CB-CB 3.74Å; C76-C91 WeakPolarHBondContact CB-SG 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.46Å; C76-C91 CovalentContact SG-SG 2.02Å; C76-C91 PolarHBondContact SG-SG 3.13Å; C76-M94 HydrophobicContact CB-CE 3.58Å
77G98.2Very high98Very high64 Ų6457.1 Ų57.166%0.6635%0.347SS*.  trans-84.2-4.4174.300000114.7G75G75-G77 PolarHBondContact O-N 2.84Å; G75-G77 VanDerWaalsContact O-N 3.15Å
78S98.4Very high98Very high66 Ų6657.5 Ų57.546%0.46235%0.347SS..  trans-96.7104.8-175.6-560000111.2C76 Q90C76-S78 VanDerWaalsContact C-N 3.34Å; C76-S78 PolarHBondContact SG-O 2.94Å; S78-Q90 WeakPolarHBondContact O-CB 3.37Å; S78-Q90 PolarHBondContact O-N 3.43Å
79W98.6Very high98Very high105 Ų10553.6 Ų53.640%0.39832%0.324SS..EExtended strand (participates in β ladder)trans-143.5155.6178.548.8-99.5000112C70 I81 H88C70-W79 HydrophobicContact CB-CB 4.05Å; C70-W79 HydrophobicContact CB-CD2 3.51Å; C70-W79 HydrophobicContact CB-CE3 3.73Å; C70-W79 HydrophobicContact CB-CG 3.64Å; C70-W79 HydrophobicContact CB-CZ3 4.37Å; C70-W79 PolarHBondContact O-NE1 2.88Å; C70-W79 VanDerWaalsContact SG-CE3 3.56Å; W79-I81 HydrophobicContact CZ3-CG1 4.49Å; W79-H88 CarbonylContact C-O 3.55Å; W79-H88 WeakPolarHBondContact CA-O 3.35Å; W79-H88 WeakPolarHBondContact CB-O 3.01Å
80D98.7Very high98Very high45 Ų4557.4 Ų57.424%0.24134%0.337CS..EExtended strand (participates in β ladder)trans-129.1162.617161.7-80.9000111.2R82 H88 Q90D80-R82 WeakPolarHBondContact OD2-CG 2.96Å; D80-R82 IonicContact OD2-NE 3.2Å; D80-R82 PolarHBondContact OD2-NE 3.13Å; D80-H88 PolarHBondContact N-O 2.02Å; D80-H88 PolarHBondContact O-N 2.87Å; D80-H88 IonicContact OD1-CE1 3.79Å; D80-H88 IonicContact OD1-CG 3.62Å; D80-H88 IonicContact OD1-ND1 2.75Å; D80-H88 PolarHBondContact OD1-ND1 3.11Å; D80-H88 IonicContact OD2-ND1 3.77Å; D80-Q90 WeakPolarHBondContact OD1-CG 3.39Å; D80-Q90 PolarHBondContact OD1-NE2 2.81Å
81I98.6Very high98Very high72 Ų7258.5 Ų58.537%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-104.5118.9172.9-59.2172000108.3V67 W79 T86V67-I81 HydrophobicContact CB-CD1 4.02Å; V67-I81 HydrophobicContact CB-CG1 4.45Å; V67-I81 HydrophobicContact CB-CG2 4.24Å; V67-I81 HydrophobicContact CG1-CD1 3.59Å; V67-I81 HydrophobicContact CG1-CG1 3.87Å; V67-I81 HydrophobicContact CG1-CG2 4.49Å; V67-I81 HydrophobicContact CG2-CG2 4.43Å; W79-I81 HydrophobicContact CZ3-CG1 4.49Å; I81-T86 CarbonylContact C-O 3.55Å; I81-T86 WeakPolarHBondContact CA-O 3.29Å
82R98Very high97.9Very high115 Ų11561.6 Ų61.643%0.43436%0.364SS..EExtended strand (participates in β ladder)trans-98.6142.2176.6-61.5-171.7175.1-170.7-4.5110.9D80 G84 N85 T86 H88D80-R82 WeakPolarHBondContact OD2-CG 2.96Å; D80-R82 IonicContact OD2-NE 3.2Å; D80-R82 PolarHBondContact OD2-NE 3.13Å; R82-G84 PolarHBondContact O-N 3.44Å; R82-N85 PolarHBondContact O-N 2.85Å; R82-N85 VanDerWaalsContact O-N 3.11Å; R82-N85 PolarHBondContact O-OD1 2.83Å; R82-T86 PolarHBondContact N-O 3.04Å; R82-T86 PolarHBondContact O-N 3.48Å; R82-H88 HydrophobicContact CG-CB 4.06Å; R82-H88 PolarHBondContact NE-ND1 3.11Å; R82-H88 PolarHBondContact NH2-CE1 3.01Å; R82-H88 PolarHBondContact NH2-ND1 3.15Å; R82-H88 VanDerWaalsContact NH2-ND1 3.18Å
83N95.7Very high97.7Very high156 Ų15665.2 Ų65.283%0.83439%0.385SS*.THydrogen-bonded Turntrans52.923.5176.9-54.6-34.3000113.9N85N83-N85 PolarHBondContact O-N 3.4Å; N83-N85 VanDerWaalsContact O-N 3.11Å
84G94.4Very high97.7Very high57 Ų5766.2 Ų66.259%0.58839%0.389SS*.THydrogen-bonded Turntrans67.20.4-176.900000116R82R82-G84 PolarHBondContact O-N 3.44Å
85N97.8Very high97.7Very high62 Ų6261.4 Ų61.433%0.33237%0.374SS..THydrogen-bonded Turntrans-138.5-5-171.676-11.7000115.5S60 C61 V67 R82 N83S60-N85 WeakPolarHBondContact CA-O 3.48Å; C61-N85 PolarHBondContact N-O 2.04Å; V67-N85 VanDerWaalsContact CG2-O 3.28Å; V67-N85 WeakPolarHBondContact CG2-O 3.31Å; R82-N85 PolarHBondContact O-N 2.85Å; R82-N85 VanDerWaalsContact O-N 3.11Å; R82-N85 PolarHBondContact O-OD1 2.83Å; N83-N85 PolarHBondContact O-N 3.4Å; N83-N85 VanDerWaalsContact O-N 3.11Å
86T98.7Very high97.8Very high15 Ų1562.2 Ų62.29%0.09235%0.353CS..EExtended strand (participates in β ladder)trans-127.4119.5-172.3-60.20000110.9L58 A59 S60 I81 R82L58-T86 HydrophobicContact CB-CG2 4.26Å; L58-T86 HydrophobicContact CD2-CG2 4.03Å; A59-T86 CarbonylContact O-C 3.55Å; A59-T86 WeakPolarHBondContact O-CA 3.29Å; S60-T86 WeakPolarHBondContact CB-OG1 2.99Å; S60-T86 WeakPolarHBondContact OG-CB 3.28Å; S60-T86 VanDerWaalsContact OG-CG2 3.28Å; S60-T86 WeakPolarHBondContact OG-CG2 3.48Å; S60-T86 PolarHBondContact OG-OG1 2.76Å; I81-T86 CarbonylContact C-O 3.55Å; I81-T86 WeakPolarHBondContact CA-O 3.29Å; R82-T86 PolarHBondContact N-O 3.04Å; R82-T86 PolarHBondContact O-N 3.48Å
87C98.8Very high97.8Very high0 Ų061.7 Ų61.70%035%0.35CS..EExtended strand (participates in β ladder)trans-69.5134.1166.9-75.20000110.5L58 A59 V67 C70 A99L58-C87 VanDerWaalsContact CA-O 3.3Å; L58-C87 WeakPolarHBondContact CA-O 3.33Å; A59-C87 PolarHBondContact N-O 3.33Å; A59-C87 PolarHBondContact O-N 2.02Å; V67-C87 WeakPolarHBondContact CG1-SG 3.28Å; C70-C87 VanDerWaalsContact CA-SG 3.51Å; C70-C87 HydrophobicContact CB-CB 3.67Å; C70-C87 WeakPolarHBondContact CB-SG 3.45Å; C70-C87 VanDerWaalsContact SG-CA 3.56Å; C70-C87 WeakPolarHBondContact SG-CB 3.49Å; C70-C87 CovalentContact SG-SG 2.02Å; C70-C87 PolarHBondContact SG-SG 2.9Å; C87-A99 HydrophobicContact CB-CB 4.08Å; C87-A99 VanDerWaalsContact SG-CA 3.54Å; C87-A99 VanDerWaalsContact SG-CB 3.5Å
88H98.8Very high97.8Very high24 Ų2459.2 Ų59.211%0.11132%0.322CS..EExtended strand (participates in β ladder)trans-124.6115.3173.1171.3-108.3000110.5R57 L58 W79 D80 R82R57-H88 CarbonylContact O-C 3.56Å; R57-H88 WeakPolarHBondContact O-CA 3.48Å; L58-H88 HydrophobicContact CD2-CB 3.74Å; W79-H88 CarbonylContact C-O 3.55Å; W79-H88 WeakPolarHBondContact CA-O 3.35Å; W79-H88 WeakPolarHBondContact CB-O 3.01Å; D80-H88 PolarHBondContact N-O 2.02Å; D80-H88 PolarHBondContact O-N 2.87Å; D80-H88 IonicContact OD1-CE1 3.79Å; D80-H88 IonicContact OD1-CG 3.62Å; D80-H88 IonicContact OD1-ND1 2.75Å; D80-H88 PolarHBondContact OD1-ND1 3.11Å; D80-H88 IonicContact OD2-ND1 3.77Å; R82-H88 HydrophobicContact CG-CB 4.06Å; R82-H88 PolarHBondContact NE-ND1 3.11Å; R82-H88 PolarHBondContact NH2-CE1 3.01Å; R82-H88 PolarHBondContact NH2-ND1 3.15Å; R82-H88 VanDerWaalsContact NH2-ND1 3.18Å
89C98.7Very high97.8Very high0 Ų056 Ų560%030%0.3CS..EExtended strand (participates in β ladder)trans-86.9126.5177.5-63.90000111.2R57 C72 M94 A97R57-C89 PolarHBondContact NH1-O 3.31Å; R57-C89 PolarHBondContact O-N 3.05Å; C72-C89 VanDerWaalsContact CA-SG 3.59Å; C72-C89 HydrophobicContact CB-CB 3.74Å; C72-C89 WeakPolarHBondContact CB-SG 3.36Å; C72-C89 WeakPolarHBondContact SG-CB 3.37Å; C72-C89 CovalentContact SG-SG 2.02Å; C72-C89 PolarHBondContact SG-SG 2.93Å; C89-M94 HydrophobicContact CB-CE 3.51Å; C89-M94 HydrophobicContact CB-CG 3.96Å; C89-M94 HydrophobicContact CB-SD 3.76Å; C89-A97 HydrophobicContact CB-CB 4.45Å; C89-A97 WeakPolarHBondContact SG-CB 3.45Å
90Q98.4Very high97.8Very high96 Ų9656 Ų5645%0.44930%0.3SS..  trans-96.9-19.2-163.6-62.8177.911.200114.8R57 S78 D80R57-Q90 PolarHBondContact NH1-O 2.02Å; S78-Q90 WeakPolarHBondContact O-CB 3.37Å; S78-Q90 PolarHBondContact O-N 3.43Å; D80-Q90 WeakPolarHBondContact OD1-CG 3.39Å; D80-Q90 PolarHBondContact OD1-NE2 2.81Å
91C97.8Very high97.8Very high40 Ų4053.9 Ų53.927%0.2729%0.289SS..SBendtrans-59.6161.2-175.2-60.40000113.4R57 C76 V93 M94R57-C91 PolarHBondContact NH1-O 2.78Å; R57-C91 PolarHBondContact NH2-O 2.75Å; C76-C91 HydrophobicContact CB-CB 3.74Å; C76-C91 WeakPolarHBondContact CB-SG 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.46Å; C76-C91 CovalentContact SG-SG 2.02Å; C76-C91 PolarHBondContact SG-SG 3.13Å; C91-V93 VanDerWaalsContact C-N 3.34Å; C91-V93 PolarHBondContact O-N 2.87Å; C91-M94 HydrophobicContact CB-CE 3.92Å
92S96.6Very high97.8Very high111 Ų11151 Ų5178%0.77627%0.274SS*.SBendtrans-60-38.5-17351.80000113.9R57R57-S92 PolarHBondContact NH2-O 2.93Å
93V95.9Very high97.8Very high86 Ų8651.8 Ų51.852%0.52128%0.278SS..  trans-120.7135.4177-176.80000108.8Y74 C91Y74-V93 HydrophobicContact CD2-CG1 4.33Å; Y74-V93 HydrophobicContact CE2-CG1 3.83Å; C91-V93 VanDerWaalsContact C-N 3.34Å; C91-V93 PolarHBondContact O-N 2.87Å
94M97.2Very high97.9Very high25 Ų2549.7 Ų49.712%0.12326%0.264CS..  trans-142.3122.7178-16160.849.500110.5G56 R57 C72 C76 C89 C91G56-M94 VanDerWaalsContact O-CG 3.26Å; G56-M94 WeakPolarHBondContact O-CG 3.44Å; R57-M94 HydrophobicContact CG-CB 3.7Å; R57-M94 HydrophobicContact CG-CG 4.15Å; C72-M94 HydrophobicContact CB-CE 4.03Å; C72-M94 HydrophobicContact CB-SD 3.7Å; C76-M94 HydrophobicContact CB-CE 3.58Å; C89-M94 HydrophobicContact CB-CE 3.51Å; C89-M94 HydrophobicContact CB-CG 3.96Å; C89-M94 HydrophobicContact CB-SD 3.76Å; C91-M94 HydrophobicContact CB-CE 3.92Å
95D97.2Very high97.8Very high61 Ų6150.6 Ų50.633%0.32627%0.266SS..SBendtrans-82.7-50.8171.550.2-13.3000110.3G56 G73 Y74G56-D95 PolarHBondContact N-O 3.07Å; G73-D95 WeakPolarHBondContact CA-OD1 3.43Å; Y74-D95 HydrophobicContact CD2-CB 4.22Å; Y74-D95 VanDerWaalsContact CD2-OD1 3.29Å; Y74-D95 WeakPolarHBondContact CD2-OD1 3.48Å; Y74-D95 HydrophobicContact CE2-CB 3.51Å; Y74-D95 VanDerWaalsContact CE2-CG 3.4Å; Y74-D95 WeakPolarHBondContact CE2-OD1 3.29Å
96W98.6Very high97.8Very high95 Ų9550.1 Ų50.136%0.3626%0.263SS..EExtended strand (participates in β ladder)trans-146.1157.1-179.461.5-92.2000113T53 S54 G56 A71 G73T53-W96 HydrophobicContact CG2-CB 4.33Å; T53-W96 HydrophobicContact CG2-CD2 4.35Å; T53-W96 HydrophobicContact CG2-CE3 3.91Å; S54-W96 WeakPolarHBondContact O-CA 3.11Å; G56-W96 CarbonylContact O-C 3.15Å; G56-W96 WeakPolarHBondContact O-CA 2.99Å; A71-W96 HydrophobicContact CB-CH2 4.24Å; A71-W96 HydrophobicContact CB-CZ3 4.1Å; G73-W96 VanDerWaalsContact CA-CE2 3.45Å; G73-W96 PolarHBondContact N-O 3.49Å
97A98.7Very high97.8Very high0 Ų051.9 Ų51.90%027%0.272CS..EExtended strand (participates in β ladder)trans-124.3150169.600000109.1T53 S54 G56 A59 C89T53-A97 WeakPolarHBondContact CA-O 3.48Å; T53-A97 WeakPolarHBondContact CG2-O 3.23Å; S54-A97 PolarHBondContact N-O 3.49Å; S54-A97 PolarHBondContact O-N 2.73Å; G56-A97 PolarHBondContact O-N 3Å; G56-A97 VanDerWaalsContact O-N 3.13Å; A59-A97 HydrophobicContact CB-CB 4.05Å; A59-A97 WeakPolarHBondContact CB-O 2.99Å; C89-A97 HydrophobicContact CB-CB 4.45Å; C89-A97 WeakPolarHBondContact SG-CB 3.45Å
98S98.8Very high97.7Very high12 Ų1254.8 Ų54.88%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-136.4131.1176.9-172.20000110.6V52 T53 C70 A71V52-S98 CarbonylContact O-C 3.53Å; V52-S98 VanDerWaalsContact O-CA 3.29Å; V52-S98 WeakPolarHBondContact O-CA 2.98Å; V52-S98 PolarHBondContact O-OG 2.02Å; T53-S98 PolarHBondContact OG1-OG 3.42Å; T53-S98 VanDerWaalsContact OG1-OG 3.04Å; C70-S98 CarbonylContact C-O 3.56Å; C70-S98 VanDerWaalsContact CA-O 3.28Å; C70-S98 WeakPolarHBondContact CA-O 3.31Å; A71-S98 PolarHBondContact N-O 3.31Å; A71-S98 PolarHBondContact O-N 2.96Å
99A98.9Very high97.7Very high0 Ų056.6 Ų56.60%030%0.298CS..EExtended strand (participates in β ladder)trans-103.1132.9172.700000110.3S51 V52 A59 V67 C87S51-A99 CarbonylContact C-O 3.58Å; S51-A99 VanDerWaalsContact CA-O 3.31Å; S51-A99 WeakPolarHBondContact CA-O 3.37Å; V52-A99 PolarHBondContact N-O 2.73Å; V52-A99 PolarHBondContact O-N 2.87Å; A59-A99 HydrophobicContact CB-CB 4.1Å; A59-A99 WeakPolarHBondContact O-CB 3.38Å; V67-A99 HydrophobicContact CG2-CB 4.46Å; C87-A99 HydrophobicContact CB-CB 4.08Å; C87-A99 VanDerWaalsContact SG-CA 3.54Å; C87-A99 VanDerWaalsContact SG-CB 3.5Å
100R98.8Very high97.6Very high105 Ų10560.1 Ų60.140%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-87.7117.2167.8-169.866.4176.91642.8108.4C49 S51 V67 T68 G69C49-R100 PolarHBondContact O-NH2 3.1Å; S51-R100 VanDerWaalsContact OG-CD 3.31Å; S51-R100 WeakPolarHBondContact OG-CD 3.07Å; S51-R100 PolarHBondContact OG-NH1 2.85Å; V67-R100 CarbonylContact C-O 3.5Å; V67-R100 WeakPolarHBondContact CA-O 3.4Å; T68-R100 PolarHBondContact N-O 3.4Å; T68-R100 WeakPolarHBondContact OG1-CG 3.38Å; T68-R100 PolarHBondContact OG1-O 2.92Å; G69-R100 PolarHBondContact O-N 2.95Å
101C98.7Very high97.6Very high0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans-113.3121.3-171-53.60000110C49 T50 C61 M65 V66C49-C101 CarbonylContact C-O 3.56Å; C49-C101 VanDerWaalsContact CA-O 3.23Å; C49-C101 WeakPolarHBondContact CA-O 3.48Å; T50-C101 HydrophobicContact CG2-CB 4.2Å; T50-C101 PolarHBondContact N-O 3.18Å; T50-C101 PolarHBondContact O-N 2.75Å; T50-C101 VanDerWaalsContact O-O 3.14Å; C61-C101 WeakPolarHBondContact CA-SG 3.5Å; C61-C101 HydrophobicContact CB-CB 3.72Å; C61-C101 WeakPolarHBondContact CB-SG 3Å; C61-C101 WeakPolarHBondContact SG-CA 3.32Å; C61-C101 WeakPolarHBondContact SG-CB 3.28Å; C61-C101 CovalentContact SG-SG 2.02Å; C61-C101 PolarHBondContact SG-SG 3.47Å; M65-C101 HydrophobicContact CB-CB 4.04Å; M65-C101 HydrophobicContact SD-CB 3.77Å; V66-C101 WeakPolarHBondContact O-CA 3.3Å
102C98.5Very high97.5Very high10 Ų1059 Ų597%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-124.3153.6-179.4-60.20000112.2I47 S48 C49 M65 V66 T68I47-C102 HydrophobicContact CG2-CB 4.25Å; S48-C102 CarbonylContact O-C 3.54Å; S48-C102 VanDerWaalsContact O-CA 3.29Å; S48-C102 WeakPolarHBondContact O-CA 3Å; C49-C102 HydrophobicContact CB-CB 4.14Å; C49-C102 WeakPolarHBondContact CB-SG 3.26Å; C49-C102 WeakPolarHBondContact SG-CB 3.4Å; C49-C102 CovalentContact SG-SG 2.04Å; C49-C102 PolarHBondContact SG-SG 2.87Å; M65-C102 CarbonylContact C-O 3.54Å; M65-C102 WeakPolarHBondContact CA-O 3.44Å; V66-C102 WeakPolarHBondContact CG2-O 3.17Å; V66-C102 PolarHBondContact N-O 3.34Å; V66-C102 PolarHBondContact O-N 3.2Å; T68-C102 HydrophobicContact CG2-CB 3.74Å; T68-C102 VanDerWaalsContact CG2-SG 3.57Å; T68-C102 PolarHBondContact OG1-SG 2.8Å
103R98.1Very high97.6Very high133 Ų13355 Ų5550%0.50227%0.274SS..EExtended strand (participates in β ladder)trans-149.3164.6169.765.1177.6-177.5179.12.4110.8S48 G64 M65S48-R103 PolarHBondContact N-O 2.79Å; S48-R103 PolarHBondContact O-N 2.84Å; G64-R103 WeakPolarHBondContact O-CB 3.43Å; M65-R103 HydrophobicContact CE-CG 4.06Å; M65-R103 HydrophobicContact CG-CB 4.09Å; M65-R103 HydrophobicContact CG-CG 4.21Å
104M97.4Very high97.8Very high111 Ų11152.4 Ų52.455%0.54725%0.253SS..EExtended strand (participates in β ladder)trans-75.6127.8163.1-61-59.4-67.300109K45 T46 I47K45-M104 HydrophobicContact CB-CE 3.8Å; K45-M104 HydrophobicContact CD-CB 4.42Å; T46-M104 CarbonylContact O-C 3.54Å; T46-M104 WeakPolarHBondContact O-CA 3.32Å; I47-M104 HydrophobicContact CG1-SD 3.74Å
105A92.4Very high97.8Very high77 Ų7754.9 Ų54.964%0.63627%0.265SS*.  trans-1220179.100000110.6K45 T46K45-A105 CarbonylContact C-O 3.56Å; K45-A105 WeakPolarHBondContact CA-O 3.12Å; T46-A105 PolarHBondContact N-O 3.31Å; T46-A105 PolarHBondContact O-N 2.85Å; T46-A105 PolarHBondContact OG1-O 3.48Å

Retrieved 105 of 105 residues in 327.4 ms (Link to these results)